CS

Pavel Jungwirth

mail pavel.jungwirthinvalid-email-name@invalid-email-domainuochb.cas.cz
phone +420 220 183 184
Group leader
Pavel Jungwirth Group
Molecular Modeling
All publications

Latest publications

Common Cations Are Not Polarizable: Effects of Dispersion Correction on Hydration Structures from Ab Initio Molecular Dynamics
V. Košťál P. E. Mason H. Martinez-Seara P. Jungwirth
Journal of Physical Chemistry Letters 14 (19): 4403–4408 (2023)
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Effects of Water Deuteration on Thermodynamic and Structural Properties of Proteins and Biomembranes
C. Tempra V. Cruces Chamorro P. Jungwirth
Journal of Physical Chemistry B 127 (5): 1138–1143 (2023)
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Gas Phase C6H6− Anion: Electronic Stabilization by Opening of the Benzene Ring
A. Pysanenko I. S. Vinklárek J. Fedor M. Fárník S. Bergmeister V. Košťál T. Nemirovich P. Jungwirth
Journal of Chemical Physics 157: 224306 (2022)
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Bridging Electrochemistry and Photoelectron Spectroscopy in the Context of Birch Reduction: Detachment Energies and Redox Potentials of Electron, Dielectron, and Benzene Radical Anion in Liquid Ammonia
T. Nemirovich V. Košťál J. Copko H. C. Schewe S. Boháčová T. Martinek T. Slanina P. Jungwirth
Journal of the American Chemical Society 144 (48): 22093–22100 (2022)
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